D731-0766 Screening compound: 3-BENZYL-6-[(E)-2-(2-FLUOROPHENYL)-1-ETHENYL][1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

D731-0766 Screening compound: 3-BENZYL-6-[(E)-2-(2-FLUOROPHENYL)-1-ETHENYL][1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE
D731-0766 Screening compound: 3-BENZYL-6-[(E)-2-(2-FLUOROPHENYL)-1-ETHENYL][1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0766
3-BENZYL-6-[(E)-2-(2-FLUOROPHENYL)-1-ETHENYL][1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D731-0766

Molecular Formula

C18H13FN4S (C18 H13 FN4 S)

Compound Name

3-BENZYL-6-[(E)-2-(2-FLUOROPHENYL)-1-ETHENYL][1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE

IUPAC name

n/a

SMILES

Fc1c(/C=C/c(s2)nn3c2nnc3Cc2ccccc2)cccc1

InChI

InChI=1S/C18H13FN4S/c19-15-9-5-4-8-14(15)10-11-17-22-23-16(20-21-18(23)24-17)12-13-6-2-1-3-7-13/h1-11H,12H2

InChI Key

ZVPPOKSBPOGPOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07360681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.688

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-4.09

Polar Surface Area

35.193

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

D731-0766 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with D731-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0766?
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What is the minimum amount of D731-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0766
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D731-0766 available by request